3-(dimethylamino)-3-ethyl-1-(2-methoxyphenyl)pentan-2-ol

C16H27NO2 — CID 79061839

IUPAC3-(dimethylamino)-3-ethyl-1-(2-methoxyphenyl)pentan-2-ol
SMILESCCC(CC)(C(O)Cc1ccccc1OC)N(C)C
InChIInChI=1S/C16H27NO2/c1-6-16(7-2,17(3)4)15(18)12-13-10-8-9-11-14(13)19-5/h8-11,15,18H,6-7,12H2,1-5H3
InChIKeyULWIXNBJIPHYFK-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.72
Rot. Bonds7

About 3-(dimethylamino)-3-ethyl-1-(2-methoxyphenyl)pentan-2-ol

3-(dimethylamino)-3-ethyl-1-(2-methoxyphenyl)pentan-2-ol (PubChem CID 79061839) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(dimethylamino)-3-ethyl-1-(2-methoxyphenyl)pentan-2-ol.

Molecular Properties

Compound Name3-(dimethylamino)-3-ethyl-1-(2-methoxyphenyl)pentan-2-ol
PubChem CID79061839
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-(dimethylamino)-3-ethyl-1-(2-methoxyphenyl)pentan-2-ol
SMILESCCC(CC)(C(O)Cc1ccccc1OC)N(C)C
InChIInChI=1S/C16H27NO2/c1-6-16(7-2,17(3)4)15(18)12-13-10-8-9-11-14(13)19-5/h8-11,15,18H,6-7,12H2,1-5H3
InChIKeyULWIXNBJIPHYFK-UHFFFAOYSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2-hydrazinyl-1-(2-methoxyphenyl)-N,N-dimethylpentan-3-amine
CID 105241886
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
1-(2-chlorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61261227
1-(dimethylamino)-3-(2-methoxyphenyl)propan-2-ol
CID 79088057
1-(2-methoxyphenyl)-3-methylpentan-2-ol
CID 63018266
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
CID 63018076
1-(2-methoxyphenyl)-3-(methylamino)propan-2-ol
CID 64983172
2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79060890
1-(ethylamino)-3-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 54609120
1-(2,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol
CID 79062622
(2R)-2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,3,3-trimethylbutanamide
CID 103930088

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-ethyl-1-(2-methoxyphenyl)pentan-2-ol?
The IUPAC name of 3-(dimethylamino)-3-ethyl-1-(2-methoxyphenyl)pentan-2-ol (CID 79061839) is 3-(dimethylamino)-3-ethyl-1-(2-methoxyphenyl)pentan-2-ol.
What is the SMILES notation for 3-(dimethylamino)-3-ethyl-1-(2-methoxyphenyl)pentan-2-ol?
The canonical SMILES for 3-(dimethylamino)-3-ethyl-1-(2-methoxyphenyl)pentan-2-ol is CCC(CC)(C(O)Cc1ccccc1OC)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-ethyl-1-(2-methoxyphenyl)pentan-2-ol?
The InChIKey is ULWIXNBJIPHYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-16(7-2,17(3)4)15(18)12-13-10-8-9-11-14(13)19-5/h8-11,15,18H,6-7,12H2,1-5H3.
What are the key properties of 3-(dimethylamino)-3-ethyl-1-(2-methoxyphenyl)pentan-2-ol?
3-(dimethylamino)-3-ethyl-1-(2-methoxyphenyl)pentan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-ethyl-1-(2-methoxyphenyl)pentan-2-ol is sourced from PubChem (CID 79061839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).